CID 17902800

6-bromobenzo[d]oxazole

Structural Information

Molecular Formula
C7H4BrNO
SMILES
C1=CC2=C(C=C1Br)OC=N2
InChI
InChI=1S/C7H4BrNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKey
YXVFVHLEIBLKCA-UHFFFAOYSA-N
Compound name
6-bromo-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

196.94763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.95491 131.7
[M+Na]+ 219.93685 137.1
[M+NH4]+ 214.98145 137.7
[M+K]+ 235.91079 138.1
[M-H]- 195.94035 133.7
[M+Na-2H]- 217.92230 136.1
[M]+ 196.94708 131.9
[M]- 196.94818 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe